Optimization
A Multivariate Bernoulli-Based Sampling Method for Multi-Label Data with Application to Meta-Research
Chung, Simon, Vorland, Colby J., Maney, Donna L., Brown, Andrew W.
Datasets may contain observations with multiple labels. If the labels are not mutually exclusive, and if the labels vary greatly in frequency, obtaining a sample that includes sufficient observations with scarcer labels to make inferences about those labels, and which deviates from the population frequencies in a known manner, creates challenges. In this paper, we consider a multivariate Bernoulli distribution as our underlying distribution of a multi-label problem. We present a novel sampling algorithm that takes label dependencies into account. It uses observed label frequencies to estimate multivariate Bernoulli distribution parameters and calculate weights for each label combination. This approach ensures the weighted sampling acquires target distribution characteristics while accounting for label dependencies. We applied this approach to a sample of research articles from Web of Science labeled with 64 biomedical topic categories. We aimed to preserve category frequency order, reduce frequency differences between most and least common categories, and account for category dependencies. This approach produced a more balanced sub-sample, enhancing the representation of minority categories.
Physics-informed Polynomial Chaos Expansion with Enhanced Constrained Optimization Solver and D-optimal Sampling
Lu, Qitian, Sharma, Himanshu, Shields, Michael D., Novák, Lukáš
Physics-informed polynomial chaos expansions (PC$^2$) provide an efficient physically constrained surrogate modeling framework by embedding governing equations and other physical constraints into the standard data-driven polynomial chaos expansions (PCE) and solving via the Karush-Kuhn-Tucker (KKT) conditions. This approach improves the physical interpretability of surrogate models while achieving high computational efficiency and accuracy. However, the performance and efficiency of PC$^2$ can still be degraded with high-dimensional parameter spaces, limited data availability, or unrepresentative training data. To address this problem, this study explores two complementary enhancements to the PC$^2$ framework. First, a numerically efficient constrained optimization solver, straightforward updating of Lagrange multipliers (SULM), is adopted as an alternative to the conventional KKT solver. The SULM method significantly reduces computational cost when solving physically constrained problems with high-dimensionality and derivative boundary conditions that require a large number of virtual points. Second, a D-optimal sampling strategy is utilized to select informative virtual points to improve the stability and achieve the balance of accuracy and efficiency of the PC$^2$. The proposed methods are integrated into the PC$^2$ framework and evaluated through numerical examples of representative physical systems governed by ordinary or partial differential equations. The results demonstrate that the enhanced PC$^2$ has better comprehensive capability than standard PC$^2$, and is well-suited for high-dimensional uncertainty quantification tasks.
Topology Identification and Inference over Graphs
Mateos, Gonzalo, Shen, Yanning, Giannakis, Georgios B., Swami, Ananthram
Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph topology identification and statistical inference methods for multidimensional relational data. Approaches for undirected links connecting graph nodes are outlined, going all the way from correlation metrics to covariance selection, and revealing ties with smooth signal priors. To account for directional (possibly causal) relations among nodal variables and address the limitations of linear time-invariant models in handling dynamic as well as nonlinear dependencies, a principled framework is surveyed to capture these complexities through judiciously selected kernels from a prescribed dictionary. Generalizations are also described via structural equations and vector autoregressions that can exploit attributes such as low rank, sparsity, acyclicity, and smoothness to model dynamic processes over possibly time-evolving topologies. It is argued that this approach supports both batch and online learning algorithms with convergence rate guarantees, is amenable to tensor (that is, multi-way array) formulations as well as decompositions that are well-suited for multidimensional network data, and can seamlessly leverage high-order statistical information.
Cluster-Dags as Powerful Background Knowledge For Causal Discovery
de Vargas, Jan Marco Ruiz, Padh, Kirtan, Kilbertus, Niki
Finding cause-effect relationships is of key importance in science. Causal discovery aims to recover a graph from data that succinctly describes these cause-effect relationships. However, current methods face several challenges, especially when dealing with high-dimensional data and complex dependencies. Incorporating prior knowledge about the system can aid causal discovery. In this work, we leverage Cluster-DAGs as a prior knowledge framework to warm-start causal discovery. We show that Cluster-DAGs offer greater flexibility than existing approaches based on tiered background knowledge and introduce two modified constraint-based algorithms, Cluster-PC and Cluster-FCI, for causal discovery in the fully and partially observed setting, respectively. Empirical evaluation on simulated data demonstrates that Cluster-PC and Cluster-FCI outperform their respective baselines without prior knowledge.
DS FedProxGrad: Asymptotic Stationarity Without Noise Floor in Fair Federated Learning
Recent work \cite{arifgroup} introduced Federated Proximal Gradient \textbf{(\texttt{FedProxGrad})} for solving non-convex composite optimization problems in group fair federated learning. However, the original analysis established convergence only to a \textit{noise-dominated neighborhood of stationarity}, with explicit dependence on a variance-induced noise floor. In this work, we provide an improved asymptotic convergence analysis for a generalized \texttt{FedProxGrad}-type analytical framework with inexact local proximal solutions and explicit fairness regularization. We call this extended analytical framework \textbf{DS \texttt{FedProxGrad}} (Decay Step Size \texttt{FedProxGrad}). Under a Robbins-Monro step-size schedule \cite{robbins1951stochastic} and a mild decay condition on local inexactness, we prove that $\liminf_{r\to\infty} \mathbb{E}[\|\nabla F(\mathbf{x}^r)\|^2] = 0$, i.e., the algorithm is asymptotically stationary and the convergence rate does not depend on a variance-induced noise floor.
Variational analysis of determinantal varieties
Yang, Yan, Gao, Bin, Yuan, Ya-xiang
Determinantal varieties -- the sets of bounded-rank matrices or tensors -- have attracted growing interest in low-rank optimization. The tangent cone to low-rank sets is widely studied and underpins a range of geometric methods. The second-order geometry, which encodes curvature information, is more intricate. In this work, we develop a unified framework to derive explicit formulas for both first- and second-order tangent sets to various low-rank sets, including low-rank matrices, tensors, symmetric matrices, and positive semidefinite matrices. The framework also accommodates the intersection of a low-rank set and another set satisfying mild assumptions, thereby yielding a tangent intersection rule. Through the lens of tangent sets, we establish a necessary and sufficient condition under which a nonsmooth problem and its smooth parameterization share equivalent second-order stationary points. Moreover, we exploit tangent sets to characterize optimality conditions for low-rank optimization and prove that verifying second-order optimality is NP-hard. In a separate line of analysis, we investigate variational geometry of the graph of the normal cone to matrix varieties, deriving the explicit Bouligand tangent cone, Fréchet and Mordukhovich normal cones to the graph. These results are further applied to develop optimality conditions for low-rank bilevel programs.
AlphaOPT: Formulating Optimization Programs with Self-Improving LLM Experience Library
Kong, Minwei, Qu, Ao, Guo, Xiaotong, Ouyang, Wenbin, Jiang, Chonghe, Zheng, Han, Ma, Yining, Zhuang, Dingyi, Tang, Yuhan, Li, Junyi, Wang, Shenhao, Koutsopoulos, Haris, Wang, Hai, Wu, Cathy, Zhao, Jinhua
Optimization modeling enables critical decisions across industries but remains difficult to automate: informal language must be mapped to precise mathematical formulations and executable solver code. Prior LLM approaches either rely on brittle prompting or costly retraining with limited generalization. We present AlphaOPT, a self-improving experience library that enables an LLM to learn from limited demonstrations (even answers alone, without gold-standard programs) and solver feedback - without annotated reasoning traces or parameter updates. AlphaOPT operates in a continual two-phase cycle: (i) a Library Learning phase that reflects on failed attempts, extracting solver-verified, structured insights as {taxonomy, condition, explanation, example}; and (ii) a Library Evolution phase that diagnoses retrieval misalignments and refines the applicability conditions of stored insights, improving transfer across tasks. This design (1) learns efficiently from limited demonstrations without curated rationales, (2) expands continually without costly retraining by updating the library rather than model weights, and (3) makes knowledge explicit and interpretable for human inspection and intervention. Experiments show that AlphaOPT steadily improves with more data (65% to 72% from 100 to 300 training items) and surpasses the strongest baseline by 7.7% on the out-of-distribution OptiBench dataset when trained only on answers. Code and data are available at: https://github.com/Minw913/AlphaOPT.
Optimizing Drivers' Discount Order Acceptance Strategies: A Policy-Improved Deep Deterministic Policy Gradient Framework
Dai, Hanwen, Gao, Chang, He, Fang, Ji, Congyuan, Yang, Yanni
The rapid expansion of platform integration has emerged as an effective solution to mitigate market fragmentation by consolidating multiple ride-hailing platforms into a single application. To address heterogeneous passenger preferences, third-party integrators provide Discount Express service delivered by express drivers at lower trip fares. For the individual platform, encouraging broader participation of drivers in Discount Express services has the potential to expand the accessible demand pool and improve matching efficiency, but often at the cost of reduced profit margins. This study aims to dynamically manage drivers' acceptance of Discount Express from the perspective of an individual platform. The lack of historical data under the new business model necessitates online learning. However, early-stage exploration through trial and error can be costly in practice, highlighting the need for reliable early-stage performance in real-world deployment. To address these challenges, this study formulates the decision regarding the proportion of drivers accepting discount orders as a continuous control task. In response to the high stochasticity and the opaque matching mechanisms employed by third-party integrator, we propose an innovative policy-improved deep deterministic policy gradient (pi-DDPG) framework. The proposed framework incorporates a refiner module to boost policy performance during the early training phase. A customized simulator based on a real-world dataset is developed to validate the effectiveness of the proposed pi-DDPG. Numerical experiments demonstrate that pi-DDPG achieves superior learning efficiency and significantly reduces early-stage training losses, enhancing its applicability to practical ride-hailing scenarios.
Learning (Approximately) Equivariant Networks via Constrained Optimization
Manolache, Andrei, Chamon, Luiz F. O., Niepert, Mathias
Equivariant neural networks are designed to respect symmetries through their architecture, boosting generalization and sample efficiency when those symmetries are present in the data distribution. Real-world data, however, often departs from perfect symmetry because of noise, structural variation, measurement bias, or other symmetry-breaking effects. Strictly equivariant models may struggle to fit the data, while unconstrained models lack a principled way to leverage partial symmetries. Even when the data is fully symmetric, enforcing equivariance can hurt training by limiting the model to a restricted region of the parameter space. Guided by homotopy principles, where an optimization problem is solved by gradually transforming a simpler problem into a complex one, we introduce Adaptive Constrained Equivariance (ACE), a constrained optimization approach that starts with a flexible, non-equivariant model and gradually reduces its deviation from equivariance. This gradual tightening smooths training early on and settles the model at a data-driven equilibrium, balancing between equivariance and non-equivariance. Across multiple architectures and tasks, our method consistently improves performance metrics, sample efficiency, and robustness to input perturbations compared with strictly equivariant models and heuristic equivariance relaxations.
FedCanon: Non-Convex Composite Federated Learning with Efficient Proximal Operation on Heterogeneous Data
Zhou, Yuan, Zhong, Jiachen, Shi, Xinli, Wen, Guanghui, Yu, Xinghuo
Composite federated learning offers a general framework for solving machine learning problems with additional regularization terms. However, existing methods often face significant limitations: many require clients to perform computationally expensive proximal operations, and their performance is frequently vulnerable to data heterogeneity. To overcome these challenges, we propose a novel composite federated learning algorithm called \textbf{FedCanon}, designed to solve the optimization problems comprising a possibly non-convex loss function and a weakly convex, potentially non-smooth regularization term. By decoupling proximal mappings from local updates, FedCanon requires only a single proximal evaluation on the server per iteration, thereby reducing the overall proximal computation cost. Concurrently, it integrates control variables into local updates to mitigate the client drift arising from data heterogeneity. The entire architecture avoids the complex subproblems of primal-dual alternatives. The theoretical analysis provides the first rigorous convergence guarantees for this proximal-skipping framework in the general non-convex setting. It establishes that FedCanon achieves a sublinear convergence rate, and a linear rate under the Polyak-Łojasiewicz condition, without the restrictive bounded heterogeneity assumption. Extensive experiments demonstrate that FedCanon outperforms the state-of-the-art methods in terms of both accuracy and computational efficiency, particularly under heterogeneous data distributions.